Methyl adipoyl chloride

C₇H₁₁ClO₃CAS 35444-44-1178.61 g/mol

Open in Covalent MOL file

Acyl halide Ester

Properties

Molecular formula: C₇H₁₁ClO₃
Molar mass: 178.61 g/mol
Exact mass: 178.0397 Da
Density: 1.145 g/mL (at 20 °C)
Boiling point: 129–130 °C (at 24 Torr)
logP: 1.49Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

35444-44-1

SMILES

COC(=O)CCCCC(=O)Cl

InChIKey

HDLGIEZOMYJKAK-UHFFFAOYSA-N

InChI

InChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

Hexanoic acid, 6-chloro-6-oxo-, methyl ester
Valeric acid, 5-(chloroformyl)-, methyl ester
Methyl 6-chloro-6-oxohexanoate
Adipic acid monomethyl ester chloride
5-Carbomethoxypentanoyl chloride
5-(Methoxycarbonyl)pentanoyl chloride
Methyl 5-(chlorocarbonyl)pentanoate
Adipic acid methyl ester chloride
Adipic acid chloride methyl ester
Methyl 5-(chloroformyl)pentanoate
Adipoyl chloride monomethyl ester
6-Chloro-6-oxohexanoic acid methyl ester
5-Carbomethoxyvaleryl chloride
5-Chlorocarbonylpentanoic acid methyl ester
Monomethyl adipoyl chloride

Work with Methyl adipoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-(chloroformyl)butyrate1501-26-496 % similar Dimethyl adipate627-93-071 % similar Dimethyl sebacate106-79-668 % similar 1,12-Dimethyl dodecanedioate1731-79-968 % similar Dimethyl pimelate1732-08-768 % similar Dimethyl suberate1732-09-868 % similar Dimethyl azelate1732-10-168 % similar Rhodasolv RPDE NA95481-62-268 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 4-(chloroformyl)butyrate5205-39-0

Elsewhere

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